1.0 2010-04-08 22:11:34 UTC 2019-11-26 03:11:01 UTC FDB014953 (S,Z)-2,7,10-Bisabolatriene Constituent of oil of Opoponax. (S,Z)-2,7,10-Bisabolatriene is found in herbs and spices. 4-(1,5-Dimethyl-1,4-hexadien-1-yl)-1-methyl-cyclohexene 4-(1,5-Dimethyl-1,4-hexadienyl)-1-methyl-cyclohexene C15H24 204.3511 204.187800768 1-methyl-4-[(2Z)-6-methylhepta-2,5-dien-2-yl]cyclohex-1-ene (Z)-α-bisabolene 17627-44-0 CC(C)=CC\C=C(\C)C1CCC(C)=CC1 InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6-8,15H,5,9-11H2,1-4H3/b14-7- YHBUQBJHSRGZNF-AUWJEWJLSA-N belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Sesquiterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Aliphatic homomonocyclic compounds Branched unsaturated hydrocarbons Cycloalkenes Unsaturated aliphatic hydrocarbons Aliphatic homomonocyclic compound Bisabolane sesquiterpenoid Branched unsaturated hydrocarbon Cyclic olefin Cycloalkene Hydrocarbon Olefin Sesquiterpenoid Unsaturated aliphatic hydrocarbon Unsaturated hydrocarbon Bisabolane sesquiterpenoids alpha-bisabolene logp 5.95 ALOGPS logs -3.93 ALOGPS solubility 2.41e-02 g/l ALOGPS logp 4.82 ChemAxon iupac 1-methyl-4-[(2Z)-6-methylhepta-2,5-dien-2-yl]cyclohex-1-ene ChemAxon average_mass 204.3511 ChemAxon mono_mass 204.187800768 ChemAxon smiles CC(C)=CC\C=C(\C)C1CCC(C)=CC1 ChemAxon formula C15H24 ChemAxon inchi InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6-8,15H,5,9-11H2,1-4H3/b14-7- ChemAxon inchikey YHBUQBJHSRGZNF-AUWJEWJLSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 71.36 ChemAxon polarizability 26.24 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10394 Specdb::CMs 27354 Specdb::CMs 101715 Specdb::CMs 156205 Specdb::MsMs 82611 Specdb::MsMs 82612 Specdb::MsMs 82613 Specdb::MsMs 144036 Specdb::MsMs 144037 Specdb::MsMs 144038 Specdb::MsMs 2775557 Specdb::MsMs 2775558 Specdb::MsMs 2775559 Specdb::MsMs 2905818 Specdb::MsMs 2905819 Specdb::MsMs 2905820 HMDB35161 #<Reference:0x000055ce31dcd660> Herbs and Spices Unknown generic